ChemSpider 2D Image | 1,6,8-Trihydroxy-3-(~2~H_3_)methyl-9,10-(4-~2~H)anthracenedione | C15H6D4O5

1,6,8-Trihydroxy-3-(2H3)methyl-9,10-(4-2H)anthracenedione

  • Molecular FormulaC15H6D4O5
  • Average mass274.262 Da
  • Monoisotopic mass274.077942 Da
  • ChemSpider ID28575283

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,6,8-Trihydroxy-3-(2H3)methyl-9,10-(4-2H)anthracendion [German] [ACD/IUPAC Name]
1,6,8-Trihydroxy-3-(2H3)methyl-9,10-(4-2H)anthracenedione [ACD/IUPAC Name]
1,6,8-Trihydroxy-3-(2H3)méthyl-9,10-(4-2H)anthracènedione [French] [ACD/IUPAC Name]
9,10-Anthracenedione-1-d, 4,5,7-trihydroxy-2-(methyl-d3)- [ACD/Index Name]
132796-52-2 [RN]
EMODIN-D4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 586.9±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 322.8±23.6 °C
Index of Refraction: 1.745
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 360.24
ACD/KOC (pH 5.5): 2186.62
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 4.38
ACD/KOC (pH 7.4): 26.60
Polar Surface Area: 95 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 85.4±3.0 dyne/cm
Molar Volume: 170.6±3.0 cm3

Click to predict properties on the Chemicalize site


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